NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 S 4.3840 8.3349 115.2906 58.3519 62.8215 172.2078 14 E 4.6610 8.5254 118.8848 53.5412 33.6079 174.0179 15 G 4.0323 8.4633 112.2891 46.0007 0.0000 174.7046 16 N 4.7880 8.4533 114.8330 51.5523 37.8504 173.2637 17 E 4.7190 7.9899 119.3433 54.6452 34.3304 176.6200 18 G 4.2084 8.3667 113.4417 44.2014 0.0000 172.6511 19 V 4.2803 7.4171 117.2857 61.1749 33.6146 175.5824 20 I 3.9312 8.3845 127.6394 64.3165 37.3707 177.1793 21 I 3.8808 7.5239 119.3628 60.9776 37.5300 175.6392 22 N 4.4467 8.5293 121.4603 52.8923 39.0131 174.7059 23 N 4.4091 8.7035 121.1829 53.7055 39.5245 174.5570 24 F 4.0039 9.0055 127.8757 60.8096 39.7969 174.7166 25 Y 4.3700 7.7962 117.0564 56.5659 39.2344 176.1414 26 S 4.5547 8.3310 118.3418 57.8132 65.6889 175.0456 27 N 4.5706 8.7470 119.3793 56.6824 38.0154 177.3953 28 Q 4.1239 8.2073 117.5075 57.8600 28.8905 176.9607 29 Y 4.1991 7.0682 116.5516 59.8397 39.1639 177.3668 30 Q 4.1894 8.7399 119.4904 57.7873 29.4206 175.1646 31 N 5.0096 8.0387 115.7134 50.8384 41.6784 173.7072 32 S 4.4029 8.2671 114.3323 57.9287 64.2330 173.3499 33 I 4.3221 7.8514 121.0056 59.3607 37.9907 175.5905 34 D 4.5096 8.5864 126.2734 53.8964 41.3520 175.6667 35 L 4.8793 8.2308 124.2434 53.1481 45.4769 175.1587 36 S 4.5826 8.3443 114.9677 56.2983 65.4087 172.7348 37 A 4.6987 8.5209 129.3609 50.3310 20.9599 175.3545 38 N 4.8209 8.4332 120.4106 51.5739 40.7396 175.5967 39 A 3.9413 8.5880 128.5342 55.5482 18.5583 178.3102 40 T 4.2163 8.2066 102.9938 61.0467 69.1197 175.7486 41 G 4.1050 8.5583 108.9462 45.8581 0.0000 173.2929 42 S 4.6782 7.9834 113.2906 56.4988 66.7372 173.9489 43 D 4.5837 8.5944 124.3319 53.0069 41.3820 174.9226 44 P 4.4905 0.0000 0.0000 61.5498 31.0503 174.4273 45 P 4.3501 0.0000 0.0000 62.2234 31.8496 177.3495 46 K 4.0946 8.4215 119.1665 59.9658 32.4802 177.2198 47 T 4.4988 6.8996 111.9440 60.6796 70.3053 172.8780 48 Y 4.4414 8.5565 124.6430 57.9545 38.8663 175.6888 49 G 3.9904 7.0573 105.0809 46.6035 0.0000 173.1303 50 Q 4.5395 8.6233 121.9378 55.5402 29.0992 175.2705 51 F 4.4521 8.0604 120.8077 57.7216 40.1960 174.8311 52 S 4.2143 6.4431 118.1371 57.7620 64.7303 174.9835 53 N 4.7753 8.4061 119.4896 51.4860 40.4075 174.2120 54 L 4.6585 8.0895 122.0796 52.9934 45.0307 175.2695 55 L 4.5274 8.4413 126.9045 53.3563 42.8350 175.5874 56 S 4.6874 8.2983 119.8460 57.4060 65.7173 174.7082 57 G 4.0426 8.3450 107.5095 46.1754 0.0000 174.8021 58 A 4.1442 7.3082 123.6109 54.8499 19.2413 178.7369 59 V 4.3526 7.3027 120.1223 61.4957 31.2465 173.1486 60 N 4.3398 8.1836 116.6105 53.7256 40.5476 169.6552 61 A 3.6050 8.7868 128.5679 54.7774 16.9845 177.9083 62 F 4.3469 8.9003 123.1415 58.1834 40.0757 174.2963 63 S 4.6303 8.1432 119.4508 58.8246 66.2438 176.1100 64 N 4.7609 8.3288 117.2190 53.4263 37.2203 174.8086 65 M 4.7807 7.6131 115.6366 54.8602 34.6969 175.8120 66 L 4.3613 8.9027 120.6841 54.4392 39.6673 173.3413 67 P 4.3701 0.0000 0.0000 64.5093 31.8368 176.3368 68 L 3.9630 7.7858 121.5373 54.4235 42.2561 176.0782 69 L 3.9137 8.5642 127.7938 55.5172 42.5706 176.4765 70 A 4.2142 8.4948 126.6493 52.5013 18.5899 177.1357 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 13 S 8.33 4.38 0.00 3.85 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.53 4.66 0.00 2.02 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.44 0.00 15 G 8.46 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.45 4.79 0.00 2.68 2.74 0.00 0.00 6.59 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.99 4.72 0.00 1.96 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 18 G 8.37 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.42 4.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.95 0.00 0.00 20 I 8.38 3.93 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.66 0.92 0.00 0.00 21 I 7.52 3.88 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.37 0.96 0.00 0.00 22 N 8.53 4.45 0.00 2.70 2.76 0.00 0.00 6.91 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.70 4.41 0.00 2.74 2.96 0.00 0.00 7.02 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 9.01 4.00 0.00 2.85 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.80 4.37 0.00 3.20 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.33 4.55 0.00 4.11 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.75 4.57 0.00 2.83 2.95 0.00 0.00 6.82 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.21 4.12 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 29 Y 7.07 4.20 0.00 3.18 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.74 4.19 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 31 N 8.04 5.01 0.00 2.80 2.72 0.00 0.00 7.09 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.27 4.40 0.00 3.95 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.85 4.32 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.59 0.89 0.00 0.00 34 D 8.59 4.51 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.23 4.88 0.00 1.52 1.49 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.34 4.58 0.00 3.80 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.52 4.70 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.43 4.82 0.00 2.80 2.67 0.00 0.00 7.05 8.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.59 3.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.21 4.22 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 41 G 8.56 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 7.98 4.68 0.00 3.81 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.59 4.58 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.49 0.00 2.17 2.16 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 45 P 0.00 4.35 0.00 2.03 2.12 0.00 3.59 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.84 0.00 46 K 8.42 4.09 0.00 1.82 1.94 0.00 1.47 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.33 7.81 47 T 6.90 4.50 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 48 Y 8.56 4.44 0.00 3.10 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 7.06 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.62 4.54 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.88 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 51 F 8.06 4.45 0.00 3.04 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 6.44 4.21 0.00 3.79 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.41 4.78 0.00 2.68 2.73 0.00 0.00 6.66 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.09 4.66 0.00 1.46 1.44 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.44 4.53 0.00 1.60 1.53 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.30 4.69 0.00 3.99 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.34 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.31 4.14 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.30 4.35 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.93 0.00 0.00 60 N 8.18 4.34 0.00 2.63 2.65 0.00 0.00 6.86 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.79 3.60 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.90 4.35 0.00 2.93 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.14 4.63 0.00 4.04 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.33 4.76 0.00 2.73 2.82 0.00 0.00 6.62 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 M 7.61 4.78 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.75 0.00 66 L 8.90 4.36 0.00 1.71 2.14 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.37 0.00 2.18 2.18 0.00 3.77 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 68 L 7.79 3.96 0.00 1.63 1.64 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.56 3.91 0.00 1.62 1.57 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.49 4.21 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00